[(2S)-1-oxidanylidene-3-phenyl-1-[(3,4,5-trimethoxyphenyl)amino]propan-2-yl]azanium

Systemtic Name: [(2S)-1-oxidanylidene-3-phenyl-1-[(3,4,5-trimethoxyphenyl)amino]propan-2-yl]azanium Openeye Name: [(1S)-1-benzyl-2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]ammonium CAS Name: [(2S)-1-oxo-3-phenyl-1-(3,4,5-trimethoxyanilino)propan-2-yl]ammonium IUPAC Name: [(2S)-1-oxo-3-phenyl-1-(3,4,5-trimethoxyanilino)propan-2-yl]azanium Traditional Name: [(1S)-1-benzyl-2-keto-2-(3,4,5-trimethoxyanilino)ethyl]ammonium Formula: C18H23N2O4+ MolecularWeight: 331.38622

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)NC(=O)C(CC2=CC=CC=C2)[NH3+]

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)NC(=O)[C@H](CC2=CC=CC=C2)[NH3+]

InChI

InChI=1S/C18H22N2O4/c1-22-15-10-13(11-16(23-2)17(15)24-3)20-18(21)14(19)9-12-7-5-4-6-8-12/h4-8,10-11,14H,9,19H2,1-3H3,(H,20,21)/p+1/t14-/m0/s1